MODNet is built around two main classes, MODData and MODNetModel found in preprocessing and models modules.

  • A MODData instance is used for representing a particular dataset. It contains a list of structures/compositions and the corresponding target properties, and can be used to perform feature selection.

  • A MODNetModel instance is used for training and predicting of one or more properties or classes.

The complete hierarchical Python API of modnet can be found below.